SCHEMBL8740495

SCHEMBL8740495

C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.72
CTSK P43235 9/20 0.72
CTSB P07858 5/20 0.72
PTPN1 P18031 1/20 0.57
CTSL P07711 3/20 0.54
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
ACE P12821 2/20 0.52
MME P08473 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
REN P00797 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
SDCBP O00560 1/20 0.49
SDC2 P34741 1/20 0.49
BCL2 P10415 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5556443 0.90 CTSS (0.68) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL8740498 0.90 CTSS (0.68) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL29481445 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL29436862 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL1519727 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL29397962 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL1519731 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL29401906 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL3821361 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL25283580 0.87 CTSS (0.68) CTSSCTSKCTSBCTSLACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629285-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-05-13 US disclosed
EP-0715619-A4 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORP (US) 1997-03-19 EP disclosed
US-5594106-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-01-14 US disclosed
EP-0715619-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1996-06-12 EP disclosed
WO-1995006031-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1995-03-02 WO disclosed